Compound Detail
CHEMBL95431
CARBOXYAMIDOTRIAZOLE 🧪 Phase III
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🧪 Phase III
Basic Information
| ChEMBL ID | CHEMBL95431 |
| Name | CARBOXYAMIDOTRIAZOLE |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | WNRZHQBJSXRYJK-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
12
Publications
3
Known Names
9
Indications
Molecular Properties
424.7
MW (Da)
3.20
ALogP
6
HBA
2
HBD
116.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Carcinoma, Non-Small-Cell Lung Carcinoma, Renal Cell Fallopian Tube Neoplasms Glioblastoma Gliosarcoma Kidney Neoplasms Ovarian Neoplasms Peritoneal Neoplasms Neoplasms
Activity Summary
IC50 5 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SARS-CoV-2 CHEMBL4303835 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
| Galanin receptor type 3 CHEMBL2731 | IC50 | 6.52 | 6.52 | 303.1 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.4 | 5.81 | 400.0 | 2 |
| COUP transcription factor 2 CHEMBL1961790 | IC50 | 5.04 | 5.04 | 9206.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SARS-CoV-2 | IC50 | = | 90.0 | nM | 7.05 | Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity o... | - |
| Galanin receptor type 3 | IC50 | = | 303.14 | nM | 6.52 | PubChem BioAssay. Fluorescence-based cell-based primary high throughput dose res... | - |
| Unchecked | IC50 | = | 400.0 | nM | 6.4 | Inhibition of human Rce1p using quenched fluorogenic substrate by fluorescence a... | 23566315 |
| Unchecked | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of yeast Rce1p using yeast a-factor mating pheromone substrate | 23566315 |
| COUP transcription factor 2 | IC50 | = | 9206.0 | nM | 5.04 | PubChem BioAssay. Luminescence-based cell-based high throughput dose response as... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1895303 | 10.1021/jm00113a024 | Gallus gallus | 30 |
| 34662706 | 10.1016/j.bmcl.2021.128415 | Unchecked | 3 |
| 23566315 | 10.1021/jm3017706 | Unchecked | 2 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 1895303 | 10.1021/jm00113a024 | Eimeria acervulina | 1 |
| 1895303 | 10.1021/jm00113a024 | Eimeria tenella | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | Caco-2 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | ADMET | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine